5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine

C13H13BrN2O — CID 166866277

IUPAC5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine
SMILESBrc1cncc(NCOCc2ccccc2)c1
InChIInChI=1S/C13H13BrN2O/c14-12-6-13(8-15-7-12)16-10-17-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2
InChIKeyDDVBIDIZMNISQH-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.43
Rot. Bonds5

About 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine

5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine (PubChem CID 166866277) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine
PubChem CID166866277
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine
SMILESBrc1cncc(NCOCc2ccccc2)c1
InChIInChI=1S/C13H13BrN2O/c14-12-6-13(8-15-7-12)16-10-17-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2
InChIKeyDDVBIDIZMNISQH-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine (CID 166866277) is 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine is Brc1cncc(NCOCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine?
The InChIKey is DDVBIDIZMNISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-6-13(8-15-7-12)16-10-17-9-11-4-2-1-3-5-11/h1-8,16H,9-10H2.
What are the key properties of 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine?
5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine has a molecular weight of 293.16 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine is sourced from PubChem (CID 166866277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).